USER MOD reduce.3.24.130724 H: found=0, std=0, add=290, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 292 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 19 THR OG1 : rot -170:sc= -0.457 USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0.658 K(o=0.66,f=0) USER MOD Single : A 30 ASN : amide:sc=-0.00115 X(o=-0.0011,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.0451 K(o=-0.045,f=-1.8!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 223 N LEU A 17 9.352 -5.868 -3.646 1.00 0.00 N ATOM 224 CA LEU A 17 9.272 -7.181 -4.278 1.00 0.00 C ATOM 225 C LEU A 17 7.861 -7.453 -4.789 1.00 0.00 C ATOM 226 O LEU A 17 6.942 -7.695 -4.007 1.00 0.00 O ATOM 227 CB LEU A 17 9.688 -8.271 -3.290 1.00 0.00 C ATOM 228 CG LEU A 17 9.746 -9.694 -3.845 1.00 0.00 C ATOM 229 CD1 LEU A 17 10.944 -9.859 -4.767 1.00 0.00 C ATOM 230 CD2 LEU A 17 9.801 -10.708 -2.711 1.00 0.00 C ATOM 0 HA LEU A 17 9.955 -7.191 -5.128 1.00 0.00 H new ATOM 0 HB2 LEU A 17 10.671 -8.017 -2.893 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.992 -8.258 -2.451 1.00 0.00 H new ATOM 0 HG LEU A 17 8.840 -9.874 -4.423 1.00 0.00 H new ATOM 0 HD11 LEU A 17 10.969 -10.878 -5.152 1.00 0.00 H new ATOM 0 HD12 LEU A 17 10.863 -9.159 -5.598 1.00 0.00 H new ATOM 0 HD13 LEU A 17 11.861 -9.659 -4.212 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.842 -11.715 -3.125 1.00 0.00 H new ATOM 0 HD22 LEU A 17 10.689 -10.529 -2.105 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.911 -10.607 -2.089 1.00 0.00 H new ATOM 242 N ALA A 18 7.696 -7.413 -6.107 1.00 0.00 N ATOM 243 CA ALA A 18 6.399 -7.660 -6.723 1.00 0.00 C ATOM 244 C ALA A 18 6.507 -7.677 -8.244 1.00 0.00 C ATOM 245 O ALA A 18 7.506 -7.233 -8.811 1.00 0.00 O ATOM 246 CB ALA A 18 5.394 -6.610 -6.275 1.00 0.00 C ATOM 0 H ALA A 18 8.445 -7.212 -6.769 1.00 0.00 H new ATOM 0 HA ALA A 18 6.052 -8.641 -6.399 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.429 -6.807 -6.743 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.286 -6.649 -5.191 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.745 -5.621 -6.570 1.00 0.00 H new ATOM 252 N THR A 19 5.473 -8.192 -8.901 1.00 0.00 N ATOM 253 CA THR A 19 5.452 -8.269 -10.356 1.00 0.00 C ATOM 254 C THR A 19 5.380 -6.879 -10.979 1.00 0.00 C ATOM 255 O THR A 19 4.999 -5.902 -10.332 1.00 0.00 O ATOM 256 CB THR A 19 4.262 -9.106 -10.858 1.00 0.00 C ATOM 257 OG1 THR A 19 3.169 -9.006 -9.937 1.00 0.00 O ATOM 258 CG2 THR A 19 4.658 -10.565 -11.026 1.00 0.00 C ATOM 0 H THR A 19 4.638 -8.563 -8.448 1.00 0.00 H new ATOM 0 HA THR A 19 6.380 -8.753 -10.660 1.00 0.00 H new ATOM 0 HB THR A 19 3.956 -8.715 -11.829 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.479 -9.659 -10.177 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.800 -11.136 -11.382 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.470 -10.641 -11.750 1.00 0.00 H new ATOM 0 HG23 THR A 19 4.988 -10.965 -10.067 1.00 0.00 H new ATOM 266 N PRO A 20 5.752 -6.785 -12.264 1.00 0.00 N ATOM 267 CA PRO A 20 5.737 -5.519 -13.002 1.00 0.00 C ATOM 268 C PRO A 20 4.320 -5.023 -13.274 1.00 0.00 C ATOM 269 O PRO A 20 4.042 -3.829 -13.180 1.00 0.00 O ATOM 270 CB PRO A 20 6.444 -5.864 -14.315 1.00 0.00 C ATOM 271 CG PRO A 20 6.234 -7.330 -14.483 1.00 0.00 C ATOM 272 CD PRO A 20 6.217 -7.908 -13.095 1.00 0.00 C ATOM 0 HA PRO A 20 6.217 -4.716 -12.442 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.023 -5.305 -15.151 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.505 -5.618 -14.270 1.00 0.00 H new ATOM 0 HG2 PRO A 20 5.297 -7.533 -15.002 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.031 -7.772 -15.080 1.00 0.00 H new ATOM 0 HD2 PRO A 20 5.547 -8.765 -13.025 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.206 -8.251 -12.790 1.00 0.00 H new ATOM 280 N ALA A 21 3.429 -5.950 -13.611 1.00 0.00 N ATOM 281 CA ALA A 21 2.041 -5.608 -13.894 1.00 0.00 C ATOM 282 C ALA A 21 1.332 -5.108 -12.640 1.00 0.00 C ATOM 283 O ALA A 21 0.432 -4.270 -12.715 1.00 0.00 O ATOM 284 CB ALA A 21 1.308 -6.809 -14.474 1.00 0.00 C ATOM 0 H ALA A 21 3.644 -6.944 -13.695 1.00 0.00 H new ATOM 0 HA ALA A 21 2.034 -4.803 -14.629 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.272 -6.538 -14.680 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.793 -7.119 -15.399 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.333 -7.631 -13.758 1.00 0.00 H new ATOM 290 N VAL A 22 1.743 -5.627 -11.487 1.00 0.00 N ATOM 291 CA VAL A 22 1.146 -5.233 -10.216 1.00 0.00 C ATOM 292 C VAL A 22 1.733 -3.916 -9.719 1.00 0.00 C ATOM 293 O VAL A 22 1.023 -3.082 -9.157 1.00 0.00 O ATOM 294 CB VAL A 22 1.355 -6.314 -9.139 1.00 0.00 C ATOM 295 CG1 VAL A 22 0.868 -5.821 -7.785 1.00 0.00 C ATOM 296 CG2 VAL A 22 0.648 -7.601 -9.533 1.00 0.00 C ATOM 0 H VAL A 22 2.486 -6.321 -11.407 1.00 0.00 H new ATOM 0 HA VAL A 22 0.078 -5.108 -10.393 1.00 0.00 H new ATOM 0 HB VAL A 22 2.422 -6.522 -9.060 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.024 -6.598 -7.037 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.425 -4.928 -7.501 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.194 -5.583 -7.845 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.806 -8.354 -8.761 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.420 -7.411 -9.641 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.050 -7.962 -10.480 1.00 0.00 H new ATOM 306 N ARG A 23 3.032 -3.736 -9.931 1.00 0.00 N ATOM 307 CA ARG A 23 3.715 -2.520 -9.503 1.00 0.00 C ATOM 308 C ARG A 23 3.025 -1.282 -10.068 1.00 0.00 C ATOM 309 O ARG A 23 3.088 -0.202 -9.482 1.00 0.00 O ATOM 310 CB ARG A 23 5.178 -2.549 -9.947 1.00 0.00 C ATOM 311 CG ARG A 23 6.061 -3.430 -9.079 1.00 0.00 C ATOM 312 CD ARG A 23 7.360 -3.788 -9.786 1.00 0.00 C ATOM 313 NE ARG A 23 8.201 -2.616 -10.009 1.00 0.00 N ATOM 314 CZ ARG A 23 8.910 -2.026 -9.052 1.00 0.00 C ATOM 315 NH1 ARG A 23 8.878 -2.499 -7.813 1.00 0.00 N ATOM 316 NH2 ARG A 23 9.653 -0.964 -9.333 1.00 0.00 N ATOM 0 H ARG A 23 3.633 -4.416 -10.396 1.00 0.00 H new ATOM 0 HA ARG A 23 3.674 -2.473 -8.415 1.00 0.00 H new ATOM 0 HB2 ARG A 23 5.229 -2.901 -10.977 1.00 0.00 H new ATOM 0 HB3 ARG A 23 5.572 -1.533 -9.937 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.284 -2.915 -8.145 1.00 0.00 H new ATOM 0 HG3 ARG A 23 5.524 -4.342 -8.820 1.00 0.00 H new ATOM 0 HD2 ARG A 23 7.907 -4.519 -9.191 1.00 0.00 H new ATOM 0 HD3 ARG A 23 7.134 -4.260 -10.742 1.00 0.00 H new ATOM 0 HE ARG A 23 8.247 -2.228 -10.951 1.00 0.00 H new ATOM 0 HH11 ARG A 23 8.309 -3.317 -7.594 1.00 0.00 H new ATOM 0 HH12 ARG A 23 9.423 -2.045 -7.080 1.00 0.00 H new ATOM 0 HH21 ARG A 23 9.681 -0.599 -10.285 1.00 0.00 H new ATOM 0 HH22 ARG A 23 10.196 -0.513 -8.597 1.00 0.00 H new ATOM 330 N ARG A 24 2.367 -1.448 -11.211 1.00 0.00 N ATOM 331 CA ARG A 24 1.666 -0.344 -11.857 1.00 0.00 C ATOM 332 C ARG A 24 0.309 -0.104 -11.202 1.00 0.00 C ATOM 333 O ARG A 24 -0.068 1.036 -10.930 1.00 0.00 O ATOM 334 CB ARG A 24 1.482 -0.632 -13.347 1.00 0.00 C ATOM 335 CG ARG A 24 0.272 0.060 -13.956 1.00 0.00 C ATOM 336 CD ARG A 24 0.441 0.263 -15.454 1.00 0.00 C ATOM 337 NE ARG A 24 -0.843 0.363 -16.141 1.00 0.00 N ATOM 338 CZ ARG A 24 -0.968 0.695 -17.421 1.00 0.00 C ATOM 339 NH1 ARG A 24 0.109 0.955 -18.149 1.00 0.00 N ATOM 340 NH2 ARG A 24 -2.172 0.766 -17.975 1.00 0.00 N ATOM 0 H ARG A 24 2.305 -2.336 -11.709 1.00 0.00 H new ATOM 0 HA ARG A 24 2.270 0.556 -11.740 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.378 -0.318 -13.883 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.386 -1.708 -13.491 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.622 -0.535 -13.767 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.121 1.025 -13.472 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.020 1.169 -15.634 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.011 -0.568 -15.870 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.691 0.167 -15.609 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.036 0.900 -17.726 1.00 0.00 H new ATOM 0 HH12 ARG A 24 0.011 1.210 -19.132 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -3.002 0.566 -17.418 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.267 1.021 -18.958 1.00 0.00 H new ATOM 354 N LEU A 25 -0.420 -1.186 -10.952 1.00 0.00 N ATOM 355 CA LEU A 25 -1.737 -1.094 -10.329 1.00 0.00 C ATOM 356 C LEU A 25 -1.730 -0.080 -9.188 1.00 0.00 C ATOM 357 O LEU A 25 -2.764 0.491 -8.846 1.00 0.00 O ATOM 358 CB LEU A 25 -2.173 -2.463 -9.807 1.00 0.00 C ATOM 359 CG LEU A 25 -3.681 -2.711 -9.747 1.00 0.00 C ATOM 360 CD1 LEU A 25 -4.314 -2.469 -11.109 1.00 0.00 C ATOM 361 CD2 LEU A 25 -3.971 -4.124 -9.265 1.00 0.00 C ATOM 0 H LEU A 25 -0.122 -2.137 -11.171 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.447 -0.758 -11.085 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.724 -3.230 -10.438 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.763 -2.595 -8.805 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.118 -2.011 -9.035 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.387 -2.650 -11.049 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.136 -1.438 -11.415 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.873 -3.146 -11.841 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.049 -4.282 -9.229 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.522 -4.842 -9.951 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.550 -4.262 -8.269 1.00 0.00 H new ATOM 373 N ALA A 26 -0.556 0.139 -8.606 1.00 0.00 N ATOM 374 CA ALA A 26 -0.413 1.085 -7.507 1.00 0.00 C ATOM 375 C ALA A 26 -0.177 2.499 -8.028 1.00 0.00 C ATOM 376 O ALA A 26 -0.866 3.439 -7.635 1.00 0.00 O ATOM 377 CB ALA A 26 0.724 0.662 -6.590 1.00 0.00 C ATOM 0 H ALA A 26 0.310 -0.326 -8.877 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.342 1.085 -6.938 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.819 1.378 -5.774 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.514 -0.327 -6.182 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.655 0.631 -7.156 1.00 0.00 H new ATOM 383 N MET A 27 0.805 2.642 -8.913 1.00 0.00 N ATOM 384 CA MET A 27 1.131 3.942 -9.488 1.00 0.00 C ATOM 385 C MET A 27 -0.102 4.585 -10.115 1.00 0.00 C ATOM 386 O MET A 27 -0.192 5.808 -10.212 1.00 0.00 O ATOM 387 CB MET A 27 2.234 3.796 -10.537 1.00 0.00 C ATOM 388 CG MET A 27 1.708 3.542 -11.941 1.00 0.00 C ATOM 389 SD MET A 27 3.024 3.434 -13.168 1.00 0.00 S ATOM 390 CE MET A 27 2.230 4.189 -14.584 1.00 0.00 C ATOM 0 H MET A 27 1.388 1.874 -9.247 1.00 0.00 H new ATOM 0 HA MET A 27 1.486 4.588 -8.685 1.00 0.00 H new ATOM 0 HB2 MET A 27 2.840 4.702 -10.543 1.00 0.00 H new ATOM 0 HB3 MET A 27 2.891 2.975 -10.250 1.00 0.00 H new ATOM 0 HG2 MET A 27 1.134 2.615 -11.947 1.00 0.00 H new ATOM 0 HG3 MET A 27 1.023 4.343 -12.218 1.00 0.00 H new ATOM 0 HE1 MET A 27 2.920 4.196 -15.427 1.00 0.00 H new ATOM 0 HE2 MET A 27 1.340 3.619 -14.849 1.00 0.00 H new ATOM 0 HE3 MET A 27 1.946 5.212 -14.339 1.00 0.00 H new ATOM 400 N GLU A 28 -1.048 3.752 -10.537 1.00 0.00 N ATOM 401 CA GLU A 28 -2.275 4.242 -11.155 1.00 0.00 C ATOM 402 C GLU A 28 -3.300 4.632 -10.095 1.00 0.00 C ATOM 403 O GLU A 28 -4.105 5.540 -10.299 1.00 0.00 O ATOM 404 CB GLU A 28 -2.864 3.178 -12.084 1.00 0.00 C ATOM 405 CG GLU A 28 -1.973 2.840 -13.266 1.00 0.00 C ATOM 406 CD GLU A 28 -2.187 3.773 -14.442 1.00 0.00 C ATOM 407 OE1 GLU A 28 -3.309 4.302 -14.582 1.00 0.00 O ATOM 408 OE2 GLU A 28 -1.233 3.973 -15.223 1.00 0.00 O ATOM 0 H GLU A 28 -0.989 2.736 -10.463 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.028 5.128 -11.740 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.051 2.270 -11.510 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.828 3.525 -12.455 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.929 2.887 -12.955 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.166 1.814 -13.581 1.00 0.00 H new ATOM 415 N ASN A 29 -3.263 3.939 -8.961 1.00 0.00 N ATOM 416 CA ASN A 29 -4.190 4.211 -7.868 1.00 0.00 C ATOM 417 C ASN A 29 -3.484 4.934 -6.725 1.00 0.00 C ATOM 418 O ASN A 29 -3.978 4.965 -5.598 1.00 0.00 O ATOM 419 CB ASN A 29 -4.807 2.907 -7.359 1.00 0.00 C ATOM 420 CG ASN A 29 -5.885 2.377 -8.285 1.00 0.00 C ATOM 421 OD1 ASN A 29 -6.959 2.965 -8.407 1.00 0.00 O ATOM 422 ND2 ASN A 29 -5.600 1.259 -8.944 1.00 0.00 N ATOM 0 H ASN A 29 -2.601 3.185 -8.775 1.00 0.00 H new ATOM 0 HA ASN A 29 -4.983 4.856 -8.248 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.024 2.156 -7.250 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -5.231 3.071 -6.369 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -6.285 0.854 -9.582 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.696 0.805 -8.812 1.00 0.00 H new ATOM 429 N ASN A 30 -2.327 5.515 -7.024 1.00 0.00 N ATOM 430 CA ASN A 30 -1.553 6.238 -6.021 1.00 0.00 C ATOM 431 C ASN A 30 -1.400 5.409 -4.749 1.00 0.00 C ATOM 432 O ASN A 30 -1.641 5.898 -3.646 1.00 0.00 O ATOM 433 CB ASN A 30 -2.224 7.574 -5.695 1.00 0.00 C ATOM 434 CG ASN A 30 -2.466 8.416 -6.933 1.00 0.00 C ATOM 435 OD1 ASN A 30 -1.528 8.790 -7.636 1.00 0.00 O ATOM 436 ND2 ASN A 30 -3.730 8.721 -7.203 1.00 0.00 N ATOM 0 H ASN A 30 -1.905 5.499 -7.952 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.561 6.427 -6.431 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -3.174 7.388 -5.194 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -1.599 8.131 -4.997 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -3.954 9.287 -8.021 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -4.476 8.389 -6.592 1.00 0.00 H new ATOM 443 N ILE A 31 -0.999 4.153 -4.913 1.00 0.00 N ATOM 444 CA ILE A 31 -0.813 3.257 -3.779 1.00 0.00 C ATOM 445 C ILE A 31 0.662 3.129 -3.416 1.00 0.00 C ATOM 446 O ILE A 31 1.529 3.094 -4.291 1.00 0.00 O ATOM 447 CB ILE A 31 -1.382 1.855 -4.070 1.00 0.00 C ATOM 448 CG1 ILE A 31 -2.908 1.910 -4.164 1.00 0.00 C ATOM 449 CG2 ILE A 31 -0.947 0.873 -2.991 1.00 0.00 C ATOM 450 CD1 ILE A 31 -3.543 0.571 -4.468 1.00 0.00 C ATOM 0 H ILE A 31 -0.797 3.733 -5.820 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.355 3.693 -2.940 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.990 1.511 -5.027 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.309 2.288 -3.223 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.191 2.622 -4.940 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.357 -0.113 -3.210 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.141 0.817 -2.967 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.314 1.211 -2.022 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.626 0.685 -4.520 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.171 0.200 -5.423 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.291 -0.139 -3.680 1.00 0.00 H new ATOM 462 N LYS A 32 0.943 3.058 -2.119 1.00 0.00 N ATOM 463 CA LYS A 32 2.313 2.931 -1.638 1.00 0.00 C ATOM 464 C LYS A 32 2.705 1.464 -1.493 1.00 0.00 C ATOM 465 O LYS A 32 2.473 0.849 -0.450 1.00 0.00 O ATOM 466 CB LYS A 32 2.473 3.648 -0.295 1.00 0.00 C ATOM 467 CG LYS A 32 2.456 5.162 -0.409 1.00 0.00 C ATOM 468 CD LYS A 32 1.042 5.712 -0.323 1.00 0.00 C ATOM 469 CE LYS A 32 1.011 7.211 -0.577 1.00 0.00 C ATOM 470 NZ LYS A 32 -0.240 7.835 -0.060 1.00 0.00 N ATOM 0 H LYS A 32 0.239 3.086 -1.382 1.00 0.00 H new ATOM 0 HA LYS A 32 2.973 3.395 -2.371 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.672 3.333 0.373 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.411 3.337 0.164 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.064 5.594 0.385 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.907 5.462 -1.355 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.408 5.205 -1.051 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.627 5.500 0.663 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.873 7.678 -0.101 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.096 7.400 -1.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.223 8.857 -0.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.062 7.407 -0.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.309 7.677 0.966 1.00 0.00 H new ATOM 484 N LEU A 33 3.300 0.908 -2.541 1.00 0.00 N ATOM 485 CA LEU A 33 3.726 -0.487 -2.530 1.00 0.00 C ATOM 486 C LEU A 33 4.216 -0.896 -1.144 1.00 0.00 C ATOM 487 O LEU A 33 3.864 -1.961 -0.639 1.00 0.00 O ATOM 488 CB LEU A 33 4.833 -0.712 -3.562 1.00 0.00 C ATOM 489 CG LEU A 33 4.373 -1.137 -4.957 1.00 0.00 C ATOM 490 CD1 LEU A 33 5.563 -1.553 -5.808 1.00 0.00 C ATOM 491 CD2 LEU A 33 3.360 -2.268 -4.863 1.00 0.00 C ATOM 0 H LEU A 33 3.499 1.402 -3.411 1.00 0.00 H new ATOM 0 HA LEU A 33 2.866 -1.105 -2.788 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.408 0.209 -3.656 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.512 -1.473 -3.177 1.00 0.00 H new ATOM 0 HG LEU A 33 3.891 -0.284 -5.435 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.216 -1.852 -6.797 1.00 0.00 H new ATOM 0 HD12 LEU A 33 6.253 -0.714 -5.904 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.074 -2.391 -5.334 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.044 -2.557 -5.865 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.815 -3.124 -4.365 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.494 -1.934 -4.292 1.00 0.00 H new ATOM 503 N SER A 34 5.030 -0.038 -0.534 1.00 0.00 N ATOM 504 CA SER A 34 5.570 -0.311 0.793 1.00 0.00 C ATOM 505 C SER A 34 4.446 -0.541 1.800 1.00 0.00 C ATOM 506 O SER A 34 4.507 -1.464 2.611 1.00 0.00 O ATOM 507 CB SER A 34 6.454 0.849 1.255 1.00 0.00 C ATOM 508 OG SER A 34 7.092 0.547 2.482 1.00 0.00 O ATOM 0 H SER A 34 5.329 0.850 -0.937 1.00 0.00 H new ATOM 0 HA SER A 34 6.173 -1.217 0.734 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.205 1.063 0.494 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.849 1.749 1.368 1.00 0.00 H new ATOM 0 HG SER A 34 7.652 1.304 2.754 1.00 0.00 H new ATOM 514 N GLU A 35 3.424 0.306 1.740 1.00 0.00 N ATOM 515 CA GLU A 35 2.288 0.195 2.648 1.00 0.00 C ATOM 516 C GLU A 35 1.465 -1.052 2.339 1.00 0.00 C ATOM 517 O GLU A 35 0.914 -1.685 3.241 1.00 0.00 O ATOM 518 CB GLU A 35 1.403 1.440 2.547 1.00 0.00 C ATOM 519 CG GLU A 35 2.159 2.742 2.753 1.00 0.00 C ATOM 520 CD GLU A 35 2.507 2.990 4.209 1.00 0.00 C ATOM 521 OE1 GLU A 35 3.396 2.286 4.733 1.00 0.00 O ATOM 522 OE2 GLU A 35 1.891 3.886 4.823 1.00 0.00 O ATOM 0 H GLU A 35 3.359 1.075 1.074 1.00 0.00 H new ATOM 0 HA GLU A 35 2.674 0.113 3.664 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.926 1.458 1.567 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.607 1.371 3.288 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.075 2.723 2.162 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.556 3.571 2.381 1.00 0.00 H new ATOM 529 N VAL A 36 1.385 -1.400 1.059 1.00 0.00 N ATOM 530 CA VAL A 36 0.631 -2.573 0.631 1.00 0.00 C ATOM 531 C VAL A 36 1.236 -3.852 1.196 1.00 0.00 C ATOM 532 O VAL A 36 2.249 -4.345 0.698 1.00 0.00 O ATOM 533 CB VAL A 36 0.579 -2.676 -0.905 1.00 0.00 C ATOM 534 CG1 VAL A 36 -0.423 -3.736 -1.335 1.00 0.00 C ATOM 535 CG2 VAL A 36 0.236 -1.327 -1.519 1.00 0.00 C ATOM 0 H VAL A 36 1.833 -0.887 0.300 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.383 -2.455 1.014 1.00 0.00 H new ATOM 0 HB VAL A 36 1.564 -2.973 -1.265 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.446 -3.795 -2.423 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.129 -4.702 -0.926 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.414 -3.472 -0.965 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.204 -1.419 -2.605 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.737 -0.998 -1.154 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.995 -0.596 -1.239 1.00 0.00 H new ATOM 545 N VAL A 37 0.610 -4.387 2.239 1.00 0.00 N ATOM 546 CA VAL A 37 1.085 -5.612 2.871 1.00 0.00 C ATOM 547 C VAL A 37 1.071 -6.779 1.889 1.00 0.00 C ATOM 548 O VAL A 37 0.036 -7.406 1.668 1.00 0.00 O ATOM 549 CB VAL A 37 0.230 -5.978 4.099 1.00 0.00 C ATOM 550 CG1 VAL A 37 0.728 -7.270 4.730 1.00 0.00 C ATOM 551 CG2 VAL A 37 0.238 -4.843 5.111 1.00 0.00 C ATOM 0 H VAL A 37 -0.228 -3.991 2.665 1.00 0.00 H new ATOM 0 HA VAL A 37 2.109 -5.425 3.193 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.798 -6.134 3.771 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.112 -7.513 5.596 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.665 -8.078 4.002 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.764 -7.145 5.045 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.371 -5.119 5.972 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.261 -4.653 5.436 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.170 -3.943 4.651 1.00 0.00 H new ATOM 561 N GLY A 38 2.229 -7.065 1.302 1.00 0.00 N ATOM 562 CA GLY A 38 2.328 -8.156 0.351 1.00 0.00 C ATOM 563 C GLY A 38 1.810 -9.465 0.914 1.00 0.00 C ATOM 564 O GLY A 38 1.518 -9.563 2.105 1.00 0.00 O ATOM 0 H GLY A 38 3.100 -6.561 1.468 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.766 -7.903 -0.548 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.369 -8.279 0.051 1.00 0.00 H new ATOM 627 N ARG A 44 6.357 -10.921 -1.482 1.00 0.00 N ATOM 628 CA ARG A 44 6.043 -10.510 -2.846 1.00 0.00 C ATOM 629 C ARG A 44 4.591 -10.051 -2.954 1.00 0.00 C ATOM 630 O ARG A 44 3.668 -10.863 -2.895 1.00 0.00 O ATOM 631 CB ARG A 44 6.299 -11.660 -3.821 1.00 0.00 C ATOM 632 CG ARG A 44 5.876 -11.355 -5.247 1.00 0.00 C ATOM 633 CD ARG A 44 6.153 -12.530 -6.173 1.00 0.00 C ATOM 634 NE ARG A 44 7.518 -12.509 -6.691 1.00 0.00 N ATOM 635 CZ ARG A 44 7.990 -11.549 -7.479 1.00 0.00 C ATOM 636 NH1 ARG A 44 7.212 -10.537 -7.837 1.00 0.00 N ATOM 637 NH2 ARG A 44 9.244 -11.601 -7.910 1.00 0.00 N ATOM 0 HA ARG A 44 6.692 -9.673 -3.105 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.361 -11.904 -3.811 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.765 -12.545 -3.474 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.813 -11.115 -5.269 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.409 -10.474 -5.605 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.984 -13.463 -5.635 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.449 -12.509 -7.005 1.00 0.00 H new ATOM 0 HE ARG A 44 8.143 -13.273 -6.434 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.248 -10.494 -7.507 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.578 -9.802 -8.442 1.00 0.00 H new ATOM 0 HH21 ARG A 44 9.846 -12.378 -7.636 1.00 0.00 H new ATOM 0 HH22 ARG A 44 9.606 -10.864 -8.515 1.00 0.00 H new ATOM 651 N ILE A 45 4.399 -8.746 -3.112 1.00 0.00 N ATOM 652 CA ILE A 45 3.060 -8.180 -3.229 1.00 0.00 C ATOM 653 C ILE A 45 2.378 -8.644 -4.513 1.00 0.00 C ATOM 654 O ILE A 45 2.848 -8.359 -5.615 1.00 0.00 O ATOM 655 CB ILE A 45 3.095 -6.641 -3.207 1.00 0.00 C ATOM 656 CG1 ILE A 45 3.868 -6.145 -1.983 1.00 0.00 C ATOM 657 CG2 ILE A 45 1.682 -6.078 -3.212 1.00 0.00 C ATOM 658 CD1 ILE A 45 4.448 -4.759 -2.156 1.00 0.00 C ATOM 0 H ILE A 45 5.153 -8.061 -3.162 1.00 0.00 H new ATOM 0 HA ILE A 45 2.491 -8.534 -2.369 1.00 0.00 H new ATOM 0 HB ILE A 45 3.607 -6.291 -4.104 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.204 -6.147 -1.119 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.676 -6.844 -1.766 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.724 -4.989 -3.196 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.162 -6.408 -4.111 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.146 -6.433 -2.332 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.982 -4.472 -1.250 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.138 -4.756 -3.000 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.643 -4.048 -2.343 1.00 0.00 H new ATOM 670 N LEU A 46 1.268 -9.356 -4.361 1.00 0.00 N ATOM 671 CA LEU A 46 0.519 -9.858 -5.509 1.00 0.00 C ATOM 672 C LEU A 46 -0.568 -8.871 -5.923 1.00 0.00 C ATOM 673 O LEU A 46 -0.889 -7.938 -5.186 1.00 0.00 O ATOM 674 CB LEU A 46 -0.106 -11.215 -5.181 1.00 0.00 C ATOM 675 CG LEU A 46 0.831 -12.254 -4.566 1.00 0.00 C ATOM 676 CD1 LEU A 46 0.068 -13.523 -4.220 1.00 0.00 C ATOM 677 CD2 LEU A 46 1.981 -12.563 -5.513 1.00 0.00 C ATOM 0 H LEU A 46 0.866 -9.599 -3.456 1.00 0.00 H new ATOM 0 HA LEU A 46 1.213 -9.976 -6.341 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.937 -11.053 -4.495 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.525 -11.630 -6.097 1.00 0.00 H new ATOM 0 HG LEU A 46 1.245 -11.841 -3.646 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.752 -14.251 -3.783 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.720 -13.290 -3.504 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.376 -13.939 -5.125 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.638 -13.305 -5.058 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.585 -12.955 -6.450 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.545 -11.651 -5.710 1.00 0.00 H new ATOM 689 N LYS A 47 -1.135 -9.085 -7.105 1.00 0.00 N ATOM 690 CA LYS A 47 -2.189 -8.217 -7.617 1.00 0.00 C ATOM 691 C LYS A 47 -3.335 -8.104 -6.617 1.00 0.00 C ATOM 692 O LYS A 47 -3.866 -7.019 -6.388 1.00 0.00 O ATOM 693 CB LYS A 47 -2.715 -8.751 -8.952 1.00 0.00 C ATOM 694 CG LYS A 47 -3.999 -8.083 -9.411 1.00 0.00 C ATOM 695 CD LYS A 47 -4.240 -8.299 -10.895 1.00 0.00 C ATOM 696 CE LYS A 47 -5.607 -7.784 -11.319 1.00 0.00 C ATOM 697 NZ LYS A 47 -6.071 -8.419 -12.583 1.00 0.00 N ATOM 0 H LYS A 47 -0.882 -9.853 -7.727 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.765 -7.225 -7.771 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.950 -8.612 -9.716 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.885 -9.824 -8.863 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.840 -8.481 -8.843 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.949 -7.015 -9.201 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.465 -7.791 -11.468 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.163 -9.361 -11.126 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.330 -7.980 -10.527 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.563 -6.703 -11.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.006 -8.042 -12.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.394 -8.211 -13.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.138 -9.448 -12.450 1.00 0.00 H new ATOM 711 N GLU A 48 -3.709 -9.233 -6.022 1.00 0.00 N ATOM 712 CA GLU A 48 -4.791 -9.259 -5.045 1.00 0.00 C ATOM 713 C GLU A 48 -4.555 -8.229 -3.945 1.00 0.00 C ATOM 714 O GLU A 48 -5.469 -7.503 -3.553 1.00 0.00 O ATOM 715 CB GLU A 48 -4.922 -10.656 -4.432 1.00 0.00 C ATOM 716 CG GLU A 48 -5.256 -11.737 -5.447 1.00 0.00 C ATOM 717 CD GLU A 48 -6.750 -11.930 -5.622 1.00 0.00 C ATOM 718 OE1 GLU A 48 -7.506 -10.968 -5.368 1.00 0.00 O ATOM 719 OE2 GLU A 48 -7.164 -13.041 -6.014 1.00 0.00 O ATOM 0 H GLU A 48 -3.279 -10.141 -6.200 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.718 -9.008 -5.561 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.988 -10.914 -3.933 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.697 -10.636 -3.666 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.812 -11.478 -6.408 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.806 -12.678 -5.131 1.00 0.00 H new ATOM 726 N ASP A 49 -3.324 -8.172 -3.450 1.00 0.00 N ATOM 727 CA ASP A 49 -2.966 -7.231 -2.395 1.00 0.00 C ATOM 728 C ASP A 49 -3.447 -5.824 -2.735 1.00 0.00 C ATOM 729 O ASP A 49 -3.999 -5.124 -1.887 1.00 0.00 O ATOM 730 CB ASP A 49 -1.453 -7.228 -2.176 1.00 0.00 C ATOM 731 CG ASP A 49 -1.073 -6.855 -0.756 1.00 0.00 C ATOM 732 OD1 ASP A 49 -1.942 -6.958 0.136 1.00 0.00 O ATOM 733 OD2 ASP A 49 0.091 -6.462 -0.538 1.00 0.00 O ATOM 0 H ASP A 49 -2.556 -8.767 -3.762 1.00 0.00 H new ATOM 0 HA ASP A 49 -3.457 -7.551 -1.476 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.053 -8.215 -2.408 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.990 -6.526 -2.869 1.00 0.00 H new ATOM 738 N ILE A 50 -3.232 -5.417 -3.982 1.00 0.00 N ATOM 739 CA ILE A 50 -3.643 -4.093 -4.434 1.00 0.00 C ATOM 740 C ILE A 50 -5.133 -3.871 -4.201 1.00 0.00 C ATOM 741 O ILE A 50 -5.538 -2.865 -3.616 1.00 0.00 O ATOM 742 CB ILE A 50 -3.333 -3.889 -5.929 1.00 0.00 C ATOM 743 CG1 ILE A 50 -1.831 -4.025 -6.184 1.00 0.00 C ATOM 744 CG2 ILE A 50 -3.834 -2.529 -6.392 1.00 0.00 C ATOM 745 CD1 ILE A 50 -1.027 -2.833 -5.711 1.00 0.00 C ATOM 0 H ILE A 50 -2.776 -5.984 -4.697 1.00 0.00 H new ATOM 0 HA ILE A 50 -3.075 -3.369 -3.850 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.850 -4.659 -6.501 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.465 -4.921 -5.683 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.663 -4.166 -7.252 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.608 -2.399 -7.450 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.912 -2.468 -6.241 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.342 -1.745 -5.817 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.029 -2.999 -5.924 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.366 -1.937 -6.230 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.165 -2.704 -4.637 1.00 0.00 H new ATOM 757 N LEU A 51 -5.946 -4.817 -4.658 1.00 0.00 N ATOM 758 CA LEU A 51 -7.393 -4.726 -4.496 1.00 0.00 C ATOM 759 C LEU A 51 -7.778 -4.724 -3.021 1.00 0.00 C ATOM 760 O LEU A 51 -8.862 -4.276 -2.652 1.00 0.00 O ATOM 761 CB LEU A 51 -8.079 -5.890 -5.212 1.00 0.00 C ATOM 762 CG LEU A 51 -8.051 -5.850 -6.741 1.00 0.00 C ATOM 763 CD1 LEU A 51 -8.439 -7.202 -7.318 1.00 0.00 C ATOM 764 CD2 LEU A 51 -8.974 -4.760 -7.263 1.00 0.00 C ATOM 0 H LEU A 51 -5.628 -5.656 -5.144 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.725 -3.787 -4.939 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.611 -6.818 -4.884 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.119 -5.926 -4.889 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.034 -5.621 -7.060 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.413 -7.154 -8.407 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.737 -7.960 -6.972 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.445 -7.462 -6.990 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.941 -4.746 -8.352 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.994 -4.958 -6.933 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.649 -3.793 -6.878 1.00 0.00 H new ATOM 776 N ASN A 52 -6.880 -5.226 -2.180 1.00 0.00 N ATOM 777 CA ASN A 52 -7.124 -5.280 -0.743 1.00 0.00 C ATOM 778 C ASN A 52 -6.685 -3.985 -0.067 1.00 0.00 C ATOM 779 O ASN A 52 -7.110 -3.679 1.048 1.00 0.00 O ATOM 780 CB ASN A 52 -6.385 -6.468 -0.123 1.00 0.00 C ATOM 781 CG ASN A 52 -6.997 -7.798 -0.514 1.00 0.00 C ATOM 782 OD1 ASN A 52 -7.725 -7.893 -1.503 1.00 0.00 O ATOM 783 ND2 ASN A 52 -6.706 -8.835 0.263 1.00 0.00 N ATOM 0 H ASN A 52 -5.977 -5.601 -2.469 1.00 0.00 H new ATOM 0 HA ASN A 52 -8.195 -5.405 -0.587 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -5.341 -6.446 -0.435 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -6.395 -6.372 0.963 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -7.090 -9.756 0.050 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -6.098 -8.711 1.073 1.00 0.00 H new ATOM 790 N TYR A 53 -5.834 -3.227 -0.749 1.00 0.00 N ATOM 791 CA TYR A 53 -5.336 -1.965 -0.215 1.00 0.00 C ATOM 792 C TYR A 53 -6.286 -0.819 -0.550 1.00 0.00 C ATOM 793 O TYR A 53 -6.256 0.235 0.087 1.00 0.00 O ATOM 794 CB TYR A 53 -3.942 -1.666 -0.770 1.00 0.00 C ATOM 795 CG TYR A 53 -3.445 -0.277 -0.441 1.00 0.00 C ATOM 796 CD1 TYR A 53 -4.035 0.846 -1.009 1.00 0.00 C ATOM 797 CD2 TYR A 53 -2.384 -0.087 0.435 1.00 0.00 C ATOM 798 CE1 TYR A 53 -3.584 2.117 -0.712 1.00 0.00 C ATOM 799 CE2 TYR A 53 -1.927 1.181 0.739 1.00 0.00 C ATOM 800 CZ TYR A 53 -2.529 2.280 0.163 1.00 0.00 C ATOM 801 OH TYR A 53 -2.076 3.543 0.461 1.00 0.00 O ATOM 0 H TYR A 53 -5.474 -3.465 -1.673 1.00 0.00 H new ATOM 0 HA TYR A 53 -5.275 -2.058 0.869 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.238 -2.398 -0.374 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.957 -1.791 -1.853 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.860 0.722 -1.694 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.908 -0.945 0.886 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -4.054 2.979 -1.162 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.102 1.311 1.424 1.00 0.00 H new ATOM 0 HH TYR A 53 -1.330 3.482 1.093 1.00 0.00 H new ATOM 811 N LEU A 54 -7.129 -1.033 -1.553 1.00 0.00 N ATOM 812 CA LEU A 54 -8.090 -0.019 -1.975 1.00 0.00 C ATOM 813 C LEU A 54 -9.407 -0.169 -1.220 1.00 0.00 C ATOM 814 O LEU A 54 -10.012 0.820 -0.807 1.00 0.00 O ATOM 815 CB LEU A 54 -8.339 -0.119 -3.482 1.00 0.00 C ATOM 816 CG LEU A 54 -7.137 0.172 -4.380 1.00 0.00 C ATOM 817 CD1 LEU A 54 -7.264 -0.575 -5.699 1.00 0.00 C ATOM 818 CD2 LEU A 54 -7.001 1.668 -4.623 1.00 0.00 C ATOM 0 H LEU A 54 -7.167 -1.899 -2.090 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.671 0.961 -1.746 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.699 -1.123 -3.705 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -9.140 0.572 -3.745 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.237 -0.176 -3.873 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.400 -0.356 -6.326 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.311 -1.647 -5.507 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -8.173 -0.258 -6.211 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.140 1.856 -5.264 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.903 2.041 -5.108 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.863 2.180 -3.671 1.00 0.00 H new ATOM 830 N GLU A 55 -9.842 -1.413 -1.042 1.00 0.00 N ATOM 831 CA GLU A 55 -11.086 -1.691 -0.334 1.00 0.00 C ATOM 832 C GLU A 55 -11.152 -0.914 0.977 1.00 0.00 C ATOM 833 O GLU A 55 -12.234 -0.589 1.467 1.00 0.00 O ATOM 834 CB GLU A 55 -11.218 -3.190 -0.059 1.00 0.00 C ATOM 835 CG GLU A 55 -9.980 -3.804 0.575 1.00 0.00 C ATOM 836 CD GLU A 55 -10.022 -3.768 2.089 1.00 0.00 C ATOM 837 OE1 GLU A 55 -10.944 -3.137 2.644 1.00 0.00 O ATOM 838 OE2 GLU A 55 -9.130 -4.373 2.721 1.00 0.00 O ATOM 0 H GLU A 55 -9.352 -2.242 -1.378 1.00 0.00 H new ATOM 0 HA GLU A 55 -11.914 -1.371 -0.967 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -12.072 -3.357 0.597 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -11.430 -3.705 -0.996 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.880 -4.837 0.242 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.095 -3.271 0.227 1.00 0.00 H new